https://github.com/openmm/openmm
molecular-dynamics simulation
Score: 28.096201865435358
Last synced: about 1 hour ago
JSON representation
Repository metadata:
OpenMM is a toolkit for molecular simulation using high performance GPU code.
- Host: GitHub
- URL: https://github.com/openmm/openmm
- Owner: openmm
- Created: 2013-05-20T17:42:52.000Z (about 13 years ago)
- Default Branch: master
- Last Pushed: 2026-05-19T15:55:10.000Z (11 days ago)
- Last Synced: 2026-05-23T18:07:54.120Z (7 days ago)
- Topics: molecular-dynamics, simulation
- Language: C++
- Size: 123 MB
- Stars: 1,894
- Watchers: 82
- Forks: 607
- Open Issues: 413
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- Code of conduct: CODE_OF_CONDUCT.md
- Support: SUPPORT.md
Owner metadata:
- Name: OpenMM
- Login: openmm
- Email: john.chodera@choderalab.org
- Kind: organization
- Description: OpenMM is a toolkit for molecular simulation using high performance GPU code
- Website: http://openmm.org
- Location:
- Twitter: openmm_toolkit
- Company:
- Icon url: https://avatars.githubusercontent.com/u/52428936?v=4
- Repositories: 18
- Last Synced at: 2024-03-25T21:43:07.267Z
- Profile URL: https://github.com/openmm
GitHub Events
Total
- Create event: 5
- Delete event: 1
- Discussion event: 8
- Fork event: 66
- Gollum event: 2
- Issue comment event: 1529
- Issues event: 510
- Pull request event: 221
- Pull request review comment event: 94
- Pull request review event: 115
- Push event: 106
- Release event: 3
- Watch event: 220
- Total: 2880
Last Year
- Create event: 3
- Discussion event: 8
- Fork event: 23
- Gollum event: 1
- Issue comment event: 497
- Issues event: 171
- Pull request event: 96
- Pull request review comment event: 45
- Pull request review event: 63
- Push event: 52
- Release event: 2
- Watch event: 104
- Total: 1065
Committers metadata
Last synced: 3 days ago
Total Commits: 5,847
Total Committers: 174
Avg Commits per committer: 33.603
Development Distribution Score (DDS): 0.45
Commits in past year: 118
Committers in past year: 17
Avg Commits per committer in past year: 6.941
Development Distribution Score (DDS) in past year: 0.466
| Name | Commits | |
|---|---|---|
| Peter Eastman | p****n@g****m | 3218 |
| Mark Friedrichs | f****m@s****u | 544 |
| Jason Swails | j****s@g****m | 338 |
| John Chodera (MSKCC) | c****j@m****g | 266 |
| Robert McGibbon | r****o@g****m | 245 |
| Michael Sherman | m****n@s****u | 114 |
| Andy Simmonett | a****t@g****m | 113 |
| Christopher Bruns | c****s@g****m | 103 |
| Rafal P. Wiewiora | r****a@g****m | 53 |
| Charlles Abreu | a****u@e****r | 51 |
| Evan Pretti | p****i@s****u | 49 |
| Yutong Zhao | p****r@g****m | 46 |
| Saurabh Belsare | s****e@g****m | 46 |
| kyleabeauchamp | k****p@g****m | 40 |
| Lee-Ping | l****g@s****u | 38 |
| Anton Gorenko | a****n@s****m | 24 |
| ChayaSt | c****n@c****g | 21 |
| João Rodrigues | j****s@g****m | 21 |
| peastman | p****n@p****i | 21 |
| tic20 | t****0@k****k | 19 |
| Rossen Apostolov | u****n@g****g | 18 |
| Joy Ku | j****u@s****u | 14 |
| Sam Mikes | s****s@c****m | 12 |
| Michael Schnieders | m****s@u****u | 12 |
| Marc Marí | m****o@g****m | 12 |
| peastman | p****n@1****2 | 12 |
| huangj | j****f@g****m | 11 |
| Lee-Ping | l****g@n****U | 11 |
| Thomas Trummer | t****r@g****m | 10 |
| peastman | p****n@c****s | 10 |
| and 144 more... | ||
Issue and Pull Request metadata
Last synced: 12 days ago
Total issues: 668
Total pull requests: 287
Average time to close issues: 7 months
Average time to close pull requests: about 1 month
Total issue authors: 373
Total pull request authors: 77
Average comments per issue: 5.37
Average comments per pull request: 2.8
Merged pull request: 190
Bot issues: 0
Bot pull requests: 0
Past year issues: 94
Past year pull requests: 77
Past year average time to close issues: 16 days
Past year average time to close pull requests: 3 days
Past year issue authors: 67
Past year pull request authors: 19
Past year average comments per issue: 3.71
Past year average comments per pull request: 1.23
Past year merged pull request: 50
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- peastman (27)
- jchodera (14)
- philipturner (12)
- epretti (12)
- aizvorski (11)
- stefdoerr (9)
- zhenyuwei99 (8)
- OkKakao (8)
- bdenhollander (8)
- NAS-SAA (7)
- H-EKE (7)
- peter-zhang-chem (6)
- KingOfChuXuan (6)
- sef43 (6)
- wlai0611 (5)
Top Pull Request Authors
- peastman (149)
- epretti (25)
- egallicc (7)
- JMorado (5)
- ex-rzr (5)
- stefdoerr (5)
- bdenhollander (3)
- RaulPPelaez (3)
- zangruochen (3)
- sef43 (3)
- WillGPoole (2)
- schuhmc (2)
- HeyangQin (2)
- jgreener64 (2)
- hmacdope (2)
Top Issue Labels
- question (41)
- enhancement (34)
- bug (23)
- documentation (6)
- discussion (2)
- low priority (2)
- cookbook (2)
- low effort (2)
- tutorial (1)
- faq (1)
- release (1)
- benchmarks (1)
Top Pull Request Labels
Package metadata
- Total packages: 8
-
Total downloads:
- pypi: 1,432 last-month
- conda: 3,965,159 total
- Total dependent packages: 35 (may contain duplicates)
- Total dependent repositories: 66 (may contain duplicates)
- Total versions: 12
- Total maintainers: 1
conda-forge.org: openmm
OpenMM is a toolkit for molecular simulation. It can be used either as a stand-alone application for running simulations, or as a library you call from your own code. It provides a combination of extreme flexibility (through custom forces and integrators), openness, and high performance (especially on recent GPUs) that make it truly unique among simulation codes. OpenMM is MIT licensed with some LGPL portions (CUDA and OpenCL platforms).
- Homepage: http://openmm.org
- Licenses: LGPL-3.0-or-later
- Latest release: 7.7.0 (published about 4 years ago)
- Last Synced: 2026-03-17T05:13:55.168Z (2 months ago)
- Versions: 5
- Dependent Packages: 35
- Dependent Repositories: 66
- Downloads: 3,965,159 Total
-
Rankings:
- Dependent packages count: 1.941%
- Dependent repos count: 4.312%
- Average: 6.456%
- Forks count: 7.75%
- Stargazers count: 11.822%
pypi.org: openmm-unofficial-cu12
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-unofficial-cu12.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 8.3.0rc2 (published 9 months ago)
- Last Synced: 2026-05-27T20:02:32.380Z (3 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 42 Last month
-
Rankings:
- Stargazers count: 2.514%
- Forks count: 2.852%
- Dependent packages count: 8.64%
- Average: 15.673%
- Dependent repos count: 48.686%
- Maintainers (1)
pypi.org: openmm-unofficial-cu11
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-unofficial-cu11.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 8.3.0rc2 (published 9 months ago)
- Last Synced: 2026-05-23T18:05:04.378Z (7 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 45 Last month
-
Rankings:
- Stargazers count: 2.514%
- Forks count: 2.852%
- Dependent packages count: 8.64%
- Average: 15.673%
- Dependent repos count: 48.686%
- Maintainers (1)
pypi.org: openmm-unofficial-cpu
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-unofficial-cpu.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 8.3.0rc2 (published 9 months ago)
- Last Synced: 2026-05-27T20:02:35.680Z (3 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 131 Last month
-
Rankings:
- Stargazers count: 2.514%
- Forks count: 2.852%
- Dependent packages count: 8.64%
- Average: 15.673%
- Dependent repos count: 48.686%
- Maintainers (1)
pypi.org: openmm-torch-unofficial-cu11
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-torch-unofficial-cu11.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 1.5 (published 9 months ago)
- Last Synced: 2026-05-23T18:05:05.943Z (7 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 364 Last month
-
Rankings:
- Dependent packages count: 8.635%
- Average: 28.646%
- Dependent repos count: 48.658%
- Maintainers (1)
pypi.org: openmm-torch-unofficial-cpu
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-torch-unofficial-cpu.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 1.5 (published 9 months ago)
- Last Synced: 2026-05-23T18:04:58.366Z (7 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 483 Last month
-
Rankings:
- Dependent packages count: 8.635%
- Average: 28.646%
- Dependent repos count: 48.658%
- Maintainers (1)
pypi.org: openmm-torch-unofficial-cu12
Python wrapper for OpenMM (a C++ MD package)
- Homepage: https://openmm.org
- Documentation: https://openmm-torch-unofficial-cu12.readthedocs.io/
- Licenses: PSF-2.0
- Latest release: 1.5 (published 9 months ago)
- Last Synced: 2026-05-23T18:04:57.402Z (7 days ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 367 Last month
-
Rankings:
- Dependent packages count: 8.635%
- Average: 28.646%
- Dependent repos count: 48.658%
- Maintainers (1)
guix: openmm
Toolkit for molecular simulation
- Homepage: https://github.com/openmm/openmm/
- Documentation: https://git.savannah.gnu.org/cgit/guix.git/tree/gnu/packages/machine-learning.scm#n1073
- Licenses: expat
- Latest release: 8.4.0 (published 3 months ago)
- Last Synced: 2026-04-27T17:04:12.356Z (about 1 month ago)
- Versions: 1
- Dependent Packages: 0
- Dependent Repositories: 0
-
Rankings:
- Dependent repos count: 0.0%
- Dependent packages count: 0.0%
- Average: 100%
Dependencies
- actions/cache v1.1.0 composite
- actions/checkout v2 composite
- conda-incubator/setup-miniconda v2 composite
- jakejarvis/s3-sync-action master composite